CID 6510267

14-hydroxy-retro-retinol

Structural Information

Molecular Formula
C20H30O2
SMILES
CC\1=CCCC(/C1=C/C=C(\C)/C=C/C=C(\C)/C(CO)O)(C)C
InChI
InChI=1S/C20H30O2/c1-15(8-6-9-17(3)19(22)14-21)11-12-18-16(2)10-7-13-20(18,4)5/h6,8-12,19,21-22H,7,13-14H2,1-5H3/b8-6+,15-11+,17-9+,18-12+
InChIKey
PCRZONNRANOQPA-XRKJSDEASA-N
Compound name
(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-triene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

556
Patents

302.22458 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 177.2
[M+Na]+ 325.21380 180.6
[M-H]- 301.21730 176.8
[M+NH4]+ 320.25840 193.2
[M+K]+ 341.18774 175.2
[M+H-H2O]+ 285.22184 172.5
[M+HCOO]- 347.22278 190.5
[M+CH3COO]- 361.23843 202.6
[M+Na-2H]- 323.19925 173.1
[M]+ 302.22403 173.5
[M]- 302.22513 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.